Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYCR1 | P32322 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | MITF | O75030 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL21198523 | 1.00 | PYCR1 (0.47) | PYCR1ALDH1A1MAPTKDM4ETDP1 | |
| SCHEMBL19559482 | 0.77 | TAAR1 (0.55) | ALDH1A1MAPTTDP1LMNANPC1 | |
| SCHEMBL3484619 | 0.76 | PYCR1 (0.50) | PYCR1KDM4ETDP1HTR2A | |
| SCHEMBL3484403 | 0.76 | PYCR1 (0.53) | PYCR1ALDH1A1MAPTKDM4ETDP1 | |
| SCHEMBL29002555 | 0.75 | LMNA (0.45) | PYCR1LMNA | |
| SCHEMBL1569750 | 0.75 | TAAR1 (0.61) | HTR2A | |
| SCHEMBL11246 | 0.75 | PYCR1 (0.49) | PYCR1ALDH1A1MAPTKDM4ETDP1 | |
| SCHEMBL29937640 | 0.75 | PYCR1 (0.49) | PYCR1ALDH1A1MAPTKDM4ETDP1 | |
| SCHEMBL27488871 | 0.75 | PYCR1 (0.49) | PYCR1ALDH1A1MAPTKDM4ETDP1 | |
| SCHEMBL7668799 | 0.74 | PYCR1 (0.51) | PYCR1ALDH1A1MAPTKDM4ETDP1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111655681-B | Heterocyclylamino-substituted triazoles as modulators of Rho-related protein kinases | 莱德克斯制药公共有限公司 | 2024-01-05 | — | — | CN | disclosed |